2OXS

Crystal Structure of the trypsin complex with benzamidine at high temperature (35 C)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	300
Detector technology	IMAGE PLATE
Collection date	2006-10-05
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	54.756, 58.484, 67.406
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.190 - 1.320
R-factor	0.15539
Rwork	0.155
R-free	0.15814
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ayw
RMSD bond length	0.010
RMSD bond angle	1.522
Data reduction software	AUTOMAR
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.340
High resolution limit [Å]	1.300	1.320
Number of reflections	51449
<I/σ(I)>	42.2	4.5
Completeness [%]	100.0	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	308	PEG 9000, 2,5mM benzamidine, ammonium sulphate. CaCl2, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 308K